Topics in Current Chemistry (2018) 376:35
1 3
144. Quenneville J, Martínez TJ (2003) Ab initio study of cis–trans photoisomerization in stilbene and
ethylene. J Phys Chem A 107:829–837. https ://doi.org/10.1021/jp021 210w
145. Minezawa N, Gordon MS (2011) Photoisomerization of stilbene: a spin-flip density functional theory approach. J Phys Chem A 115:7901–7911. https ://doi.org/10.1021/jp203 803a
146. Harabuchi Y, Keipert K, Zahariev F, Taketsugu T, Gordon MS (2014) Dynamics simulations with
spin-flip time-dependent density functional theory: photoisomerization and photocyclization mechanisms of cis-stilbene in ππ* states. J Phys Chem A 118:11987–11998. https ://doi.org/10.1021/
jp507 2428
147. Iwata K, H-o Hamaguchi (1992) Picosecond structural relaxation of S1 trans-stilbene in solution as revealed by time-resolved Raman spectroscopy. Chem Phys Lett 196:462–468. https ://doi.
org/10.1016/0009-2614(92)85721 -L
148. Kwok WM, Ma C, Phillips D, Beeby A, Marder TB, Thomas RL, Tschuschke C, Baranović G,
Matousek P, Towrie M, Parker AW (2003) Time-resolved resonance Raman study of S1cis-stilbene
and its deuterated isotopomers. J Raman Spectrosc 34:886–891. https ://doi.org/10.1002/jrs.1070
149. Dobryakov AL, Ioffe I, Granovsky AA, Ernsting NP, Kovalenko SA (2012) Femtosecond Raman
spectra of cis-stilbene and trans-stilbene with isotopomers in solution. J Chem Phys 137:244505.
https ://doi.org/10.1063/1.47699 71
150. Sakamoto A, Tanaka F, Tasumi M, Torii H, Kawato K, Furuya K (2006) Comparison of the Raman
spectrum of trans-stilbene in the S1 state calculated by the CIS method and the spectra observed
under resonant and off-resonant conditions. A collection of papers presented at the 3rd international conference on advanced vibrational spectroscopy (ICAVS-3), Delavan, WI, USA, 14–19
August 2005—Part 1 42:176–182. https ://doi.org/10.1016/j.vibsp ec.2006.04.001
151. Tsumura K, Furuya K, Sakamoto A, Tasumi M (2008) Vibrational analysis of trans-stilbene in the
excited singlet state by time-dependent density functional theory: calculations of the Raman, infrared, and fluorescence excitation spectra. J Raman Spectrosc 39:1584–1591. https ://doi.org/10.1002/
jrs.2095
152. Angeli C, Improta R, Santoro F (2009) On the controversial nature of the 1 B1u and 2 B1u states of
trans-stilbene: the n-electron valence state perturbation theory approach. J Chem Phys 130:174307.
https ://doi.org/10.1063/1.31312 63
153. Ioffe IN, Granovsky AA (2013) Photoisomerization of stilbene: the detailed XMCQDPT2 treatment. J Chem Theory Comput 9:4973–4990. https ://doi.org/10.1021/ct400 647w
154. Orlandi G, Garavelli M, Zerbetto F (2017) Analysis of the vibronic structure of the trans-stilbene
fluorescence and excitation spectra: the S 0 and S 1 PES along the C e [double bond, length as
m-dash] C e and C e–C ph torsions. Phys Chem Chem Phys 19:25095–25104
155. Meić Z, Güsten H (1978) Vibrational studies of trans-stilbenes—I. Infrared and Raman spectra of
trans-stilbene and deuterated trans-stilbenes. Spectrochim Acta Part A 34(1):101–111. https ://doi.
org/10.1016/0584-8539(78)80193 -7
156. Ishii K, Takeuchi S, Tahara T (2004) A 40-fs time-resolved absorption study on cis-stilbene in
solution: observation of wavepacket motion on the reactive excited state. Chem Phys Lett 398:400–
406. https ://doi.org/10.1016/j.cplet t.2004.09.075
157. Berndt F, Dobryakov AL, Quick M, Mahrwald R, Ernsting NP, Lenoir D, Kovalenko SA (2012)
Long-lived perpendicular conformation in the photoisomerization path of 1,1′-dimethylstilbene
and 1,1′-diethylstilbene. Chem Phys Lett 544:39–42. https ://doi.org/10.1016/j.cplet t.2012.07.007
158. Dobryakov AL, Quick M, Lenoir D, Detert H, Ernsting NP, Kovalenko SA (2016) Time-resolved
photoisomerization of 1,1′-di-tert-butylstilbene and 1,1′-dicyanostilbene. Chem Phys Lett 652:225–
229. https ://doi.org/10.1016/j.cplet t.2016.04.060
159. Dobryakov AL, Quick M, Richter C, Knie C, Ioffe IN, Granovsky AA, Mahrwald R, Ernsting NP,
Kovalenko SA (2017) Photoisomerization pathways and Raman activity of 1,1′-difluorostilbene. J
Chem Phys 146:044501. https ://doi.org/10.1063/1.49743 57
160. Pollard MM, Meetsma A, Feringa BL (2008) A redesign of light-driven rotary molecular motors.
Org Biomol Chem 6:507–512. https ://doi.org/10.1039/B7156 52A
161. Quick M, Berndt F, Dobryakov AL, Ioffe IN, Granovsky AA, Knie C, Mahrwald R, Lenoir D, Ernsting NP, Kovalenko SA (2014) Photoisomerization dynamics of stiff-stilbene in solution. J Phys
Chem B 118:1389–1402. https ://doi.org/10.1021/jp411 656x
162. Conyard J, Addison K, Heisler IA, Cnossen A, Browne WR, Feringa BL, Meech SR (2012) Ultrafast dynamics in the power stroke of a molecular rotary motor. Nat Chem 4:547–551. https ://doi.
org/10.1038/nchem .1343
244
Reprinted from the journal
1 3
144. Quenneville J, Martínez TJ (2003) Ab initio study of cis–trans photoisomerization in stilbene and
ethylene. J Phys Chem A 107:829–837. https ://doi.org/10.1021/jp021 210w
145. Minezawa N, Gordon MS (2011) Photoisomerization of stilbene: a spin-flip density functional theory approach. J Phys Chem A 115:7901–7911. https ://doi.org/10.1021/jp203 803a
146. Harabuchi Y, Keipert K, Zahariev F, Taketsugu T, Gordon MS (2014) Dynamics simulations with
spin-flip time-dependent density functional theory: photoisomerization and photocyclization mechanisms of cis-stilbene in ππ* states. J Phys Chem A 118:11987–11998. https ://doi.org/10.1021/
jp507 2428
147. Iwata K, H-o Hamaguchi (1992) Picosecond structural relaxation of S1 trans-stilbene in solution as revealed by time-resolved Raman spectroscopy. Chem Phys Lett 196:462–468. https ://doi.
org/10.1016/0009-2614(92)85721 -L
148. Kwok WM, Ma C, Phillips D, Beeby A, Marder TB, Thomas RL, Tschuschke C, Baranović G,
Matousek P, Towrie M, Parker AW (2003) Time-resolved resonance Raman study of S1cis-stilbene
and its deuterated isotopomers. J Raman Spectrosc 34:886–891. https ://doi.org/10.1002/jrs.1070
149. Dobryakov AL, Ioffe I, Granovsky AA, Ernsting NP, Kovalenko SA (2012) Femtosecond Raman
spectra of cis-stilbene and trans-stilbene with isotopomers in solution. J Chem Phys 137:244505.
https ://doi.org/10.1063/1.47699 71
150. Sakamoto A, Tanaka F, Tasumi M, Torii H, Kawato K, Furuya K (2006) Comparison of the Raman
spectrum of trans-stilbene in the S1 state calculated by the CIS method and the spectra observed
under resonant and off-resonant conditions. A collection of papers presented at the 3rd international conference on advanced vibrational spectroscopy (ICAVS-3), Delavan, WI, USA, 14–19
August 2005—Part 1 42:176–182. https ://doi.org/10.1016/j.vibsp ec.2006.04.001
151. Tsumura K, Furuya K, Sakamoto A, Tasumi M (2008) Vibrational analysis of trans-stilbene in the
excited singlet state by time-dependent density functional theory: calculations of the Raman, infrared, and fluorescence excitation spectra. J Raman Spectrosc 39:1584–1591. https ://doi.org/10.1002/
jrs.2095
152. Angeli C, Improta R, Santoro F (2009) On the controversial nature of the 1 B1u and 2 B1u states of
trans-stilbene: the n-electron valence state perturbation theory approach. J Chem Phys 130:174307.
https ://doi.org/10.1063/1.31312 63
153. Ioffe IN, Granovsky AA (2013) Photoisomerization of stilbene: the detailed XMCQDPT2 treatment. J Chem Theory Comput 9:4973–4990. https ://doi.org/10.1021/ct400 647w
154. Orlandi G, Garavelli M, Zerbetto F (2017) Analysis of the vibronic structure of the trans-stilbene
fluorescence and excitation spectra: the S 0 and S 1 PES along the C e [double bond, length as
m-dash] C e and C e–C ph torsions. Phys Chem Chem Phys 19:25095–25104
155. Meić Z, Güsten H (1978) Vibrational studies of trans-stilbenes—I. Infrared and Raman spectra of
trans-stilbene and deuterated trans-stilbenes. Spectrochim Acta Part A 34(1):101–111. https ://doi.
org/10.1016/0584-8539(78)80193 -7
156. Ishii K, Takeuchi S, Tahara T (2004) A 40-fs time-resolved absorption study on cis-stilbene in
solution: observation of wavepacket motion on the reactive excited state. Chem Phys Lett 398:400–
406. https ://doi.org/10.1016/j.cplet t.2004.09.075
157. Berndt F, Dobryakov AL, Quick M, Mahrwald R, Ernsting NP, Lenoir D, Kovalenko SA (2012)
Long-lived perpendicular conformation in the photoisomerization path of 1,1′-dimethylstilbene
and 1,1′-diethylstilbene. Chem Phys Lett 544:39–42. https ://doi.org/10.1016/j.cplet t.2012.07.007
158. Dobryakov AL, Quick M, Lenoir D, Detert H, Ernsting NP, Kovalenko SA (2016) Time-resolved
photoisomerization of 1,1′-di-tert-butylstilbene and 1,1′-dicyanostilbene. Chem Phys Lett 652:225–
229. https ://doi.org/10.1016/j.cplet t.2016.04.060
159. Dobryakov AL, Quick M, Richter C, Knie C, Ioffe IN, Granovsky AA, Mahrwald R, Ernsting NP,
Kovalenko SA (2017) Photoisomerization pathways and Raman activity of 1,1′-difluorostilbene. J
Chem Phys 146:044501. https ://doi.org/10.1063/1.49743 57
160. Pollard MM, Meetsma A, Feringa BL (2008) A redesign of light-driven rotary molecular motors.
Org Biomol Chem 6:507–512. https ://doi.org/10.1039/B7156 52A
161. Quick M, Berndt F, Dobryakov AL, Ioffe IN, Granovsky AA, Knie C, Mahrwald R, Lenoir D, Ernsting NP, Kovalenko SA (2014) Photoisomerization dynamics of stiff-stilbene in solution. J Phys
Chem B 118:1389–1402. https ://doi.org/10.1021/jp411 656x
162. Conyard J, Addison K, Heisler IA, Cnossen A, Browne WR, Feringa BL, Meech SR (2012) Ultrafast dynamics in the power stroke of a molecular rotary motor. Nat Chem 4:547–551. https ://doi.
org/10.1038/nchem .1343
244
Reprinted from the journal